2FDP

Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor

Summary for 2FDP

Entry DOI	10.2210/pdb2fdp/pdb
Descriptor	Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE (3 entities in total)
Functional Keywords	aspartyl protease, bace, hydrolase
Biological source	Homo sapiens (human)
Cellular location	Membrane; Single-pass type I membrane protein: P56817
Total number of polymer chains	3
Total formula weight	131449.37
Authors	Yang, W.,Lu, W.,Lu, Y.,Zhong, M.,Sun, J.,Thomas, A.E.,Wilkinson, J.M.,Fucini, R.V.,Lam, M.,Randal, M.,Shi, X.P.,Jacobs, J.W.,McDowell, R.S.,Gordon, E.M.,Ballinger, M.D. (deposition date: 2005-12-14, release date: 2006-01-24, Last modification date: 2024-04-03)
Primary citation	Yang, W.,Lu, W.,Lu, Y.,Zhong, M.,Sun, J.,Thomas, A.E.,Wilkinson, J.M.,Fucini, R.V.,Lam, M.,Randal, M.,Shi, X.P.,Jacobs, J.W.,McDowell, R.S.,Gordon, E.M.,Ballinger, M.D. Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1. J.Med.Chem., 49:839-842, 2006 Cited by PubMed: 16451048 DOI: 10.1021/jm0509142 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation